Bio AI Agent: A Multi-Agent Artificial Intelligence System for Autonomous CAR-T Cell Therapy Development with Integrated Target Discovery, Toxicity Prediction, and Rational Molecular Design

Yi Ni; Liwei Zhu; Shuai Li

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arXiv · 2511.08649

Bio AI Agent: A Multi-Agent Artificial Intelligence System for Autonomous CAR-T Cell Therapy Development with Integrated Target Discovery, Toxicity Prediction, and Rational Molecular Design

Yi Ni·Liwei Zhu·Shuai Li

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Abstract

Chimeric antigen receptor T-cell (CAR-T) therapy represents a paradigm shift in cancer treatment, yet development timelines of 8-12 years and clinical attrition rates exceeding 40-60% highlight critical inefficiencies in target selection, safety assessment, and molecular optimization. We present Bio AI Agent, a multi-agent artificial intelligence system powered by large language models that enables autonomous CAR-T development through collaborative specialized agents. The system comprises six autonomous agents: Target Selection Agent for multi-parametric antigen prioritization across >10,000 cancer-associated targets, Toxicity Prediction Agent for comprehensive safety profiling integrating tissue expression atlases and pharmacovigilance databases, Molecular Design Agent for rational CAR engineering, Patent Intelligence Agent for freedom-to-operate analysis, Clinical Translation Agent for regulatory compliance, and Decision Orchestration Agent for multi-agent coordination. Retrospective validation demonstrated autonomous identification of high-risk targets including FcRH5 (hepatotoxicity) and CD229 (off-tumor toxicity), patent infringement risks for CD38+SLAMF7 combinations, and generation of comprehensive development roadmaps. By enabling parallel processing, specialized reasoning, and autonomous decision-making superior to monolithic AI systems, Bio AI Agent addresses critical gaps in precision oncology development and has potential to accelerate translation of next-generation immunotherapies from discovery to clinic.

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Yi Ni, Liwei Zhu, Shuai Li. 2025-11-11. Bio AI Agent: A Multi-Agent Artificial Intelligence System for Autonomous CAR-T Cell Therapy Development with Integrated Target Discovery, Toxicity Prediction, and Rational Molecular Design. https://arxiv.org/abs/2511.08649

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